2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine

C13H23N5O — CID 111815848

IUPAC2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine
SMILESCC(C)(C)c1nc(C/N=C(\N)NCC2CCC2)no1
InChIInChI=1S/C13H23N5O/c1-13(2,3)11-17-10(18-19-11)8-16-12(14)15-7-9-5-4-6-9/h9H,4-8H2,1-3H3,(H3,14,15,16)
InChIKeyGODWPNNSDFOBTQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.57
Rot. Bonds4

About 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine (PubChem CID 111815848) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine
PubChem CID111815848
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine
SMILESCC(C)(C)c1nc(C/N=C(\N)NCC2CCC2)no1
InChIInChI=1S/C13H23N5O/c1-13(2,3)11-17-10(18-19-11)8-16-12(14)15-7-9-5-4-6-9/h9H,4-8H2,1-3H3,(H3,14,15,16)
InChIKeyGODWPNNSDFOBTQ-UHFFFAOYSA-N
XLogP1.57
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111815806
1-(cyclobutylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 119120511
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111804623
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111815853
1-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111817439
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-cyclopentylpropyl)-2-methylguanidine
CID 111621054
1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine
CID 110004848
1-(cyclobutylmethyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089709
1-(cyclobutylmethyl)-2-[(4-methylthiophen-3-yl)methyl]guanidine
CID 120602771
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,5-diethoxyphenyl)guanidine
CID 111815852
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110918899

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine?
The IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine (CID 111815848) is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine.
What is the SMILES notation for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine?
The canonical SMILES for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine is CC(C)(C)c1nc(C/N=C(\N)NCC2CCC2)no1.
What is the InChIKey of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine?
The InChIKey is GODWPNNSDFOBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,3)11-17-10(18-19-11)8-16-12(14)15-7-9-5-4-6-9/h9H,4-8H2,1-3H3,(H3,14,15,16).
What are the key properties of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine?
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine has a molecular weight of 265.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine is sourced from PubChem (CID 111815848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).